4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide

C14H11BrFNOS — CID 47421930

IUPAC4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C14H11BrFNOS/c1-19-11-5-3-10(4-6-11)17-14(18)9-2-7-12(15)13(16)8-9/h2-8H,1H3,(H,17,18)
InChIKeyIHPPVSHQLXPFKP-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.56
Rot. Bonds3

About 4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide

4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide (PubChem CID 47421930) has the molecular formula C14H11BrFNOS and a molecular weight of 340.22 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide
PubChem CID47421930
Molecular FormulaC14H11BrFNOS
Molecular Weight340.22 g/mol
Exact Mass338.97
IUPAC Name4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C14H11BrFNOS/c1-19-11-5-3-10(4-6-11)17-14(18)9-2-7-12(15)13(16)8-9/h2-8H,1H3,(H,17,18)
InChIKeyIHPPVSHQLXPFKP-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide (CID 47421930) is 4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide is CSc1ccc(NC(=O)c2ccc(Br)c(F)c2)cc1.
What is the InChIKey of 4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide?
The InChIKey is IHPPVSHQLXPFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNOS/c1-19-11-5-3-10(4-6-11)17-14(18)9-2-7-12(15)13(16)8-9/h2-8H,1H3,(H,17,18).
What are the key properties of 4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide?
4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide has a molecular weight of 340.22 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 47421930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).